2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-ethanoyl-amino]ethyl 2-chloranylethanoate

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-ethanoyl-amino]ethyl 2-chloranylethanoate Openeye Name: 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-anilino]ethyl 2-chloroacetate CAS Name: 2-chloroacetic acid 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methylanilino]ethyl ester IUPAC Name: 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methylanilino]ethyl 2-chloroacetate Traditional Name: 2-chloroacetic acid 2-[N-acetyl-4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-anilino]ethyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(CCOC(=O)CCl)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(CCOC(=O)CCl)C(=O)C

InChI

InChI=1S/C21H21ClN2O4S/c1-14-11-16(28-13-20-23-17-5-3-4-6-19(17)29-20)7-8-18(14)24(15(2)25)9-10-27-21(26)12-22/h3-8,11H,9-10,12-13H2,1-2H3